Cas no 4364-80-1 (1,1,2-Ethenetricarbonitrile,2-phenyl-)
4364-80-1 structure
Product Name:1,1,2-Ethenetricarbonitrile,2-phenyl-
1,1,2-Ethenetricarbonitrile,2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,1,2-Ethenetricarbonitrile,2-phenyl-
- 2-phenylethene-1,1,2-tricarbonitrile
- 2-phenyl-1,1,2-tricyanoethylene
- AC1L6335
- AC1Q4QC9
- AG-J-21609
- AR-1E4945
- CTK4I7641
- NSC142326
- Phenyl-aethentricarbonitril
- phenyl-ethenetricarbonitrile
- phenyltricyanoethylene
- tricyanovinylbenzene
- A826667
- 4364-80-1
- NSC-142326
- DTXSID70301319
- SCHEMBL61242
-
- Inchi： 1S/C11H5N3/c12-6-10(7-13)11(8-14)9-4-2-1-3-5-9/h1-5H
- InChI Key： QFLGJTBVYNAVJA-UHFFFAOYSA-N
- SMILES： N#C/C(=C(/C#N)\C#N)/C1C=CC=CC=1
Computed Properties
- Exact Mass: 179.04845
- Monoisotopic Mass: 179.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 366
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 71.4?2
Experimental Properties
- Density: 1.221
- Boiling Point: 300.6°Cat760mmHg
- Flash Point: 137.1°C
- Refractive Index: 1.591
- PSA: 71.37
- LogP: 2.01094
1,1,2-Ethenetricarbonitrile,2-phenyl- Related Literature
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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